LIAROZOLE

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Synonyms
Status
Molecule Category Free-form
UNII 17NYD2210B
EPA CompTox DTXSID9048277

Structure

InChI Key UGFHIPBXIWJXNA-UHFFFAOYSA-N
Smiles Clc1cccc(C(c2ccc3[nH]cnc3c2)n2ccnc2)c1
InChI
InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H13ClN4
Molecular Weight 308.77
AlogP 4.05
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 46.5
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 19 Cytochrome P450 family 19A Cytochrome P450 19A1
- 5-44.67 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 24 Cytochrome P450 family 24A Cytochrome P450 24A1
- 2.3 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 26 Cytochrome P450 family 26A Cytochrome P450 26A1
- 540-890 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 26
- 540-890 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 690 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 2.3-890 - - -
Rattus norvegicus
- - - - 90

Cross References

Resources Reference
ChEBI 135316
ChEMBL CHEMBL389433
DrugBank DB13066
FDA SRS 17NYD2210B
Guide to Pharmacology 5210
PubChem 60652
SureChEMBL SCHEMBL18597
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